Geometry & MOs

Info

ID:	413723
PubChem CID:	135086673
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	319.082013
ΔH_f, kcal/mol:	-99.23
Dipole, Da:	4.88
IP(EA), eV:	-8.37(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzoyl-N-[3-(trifluoromethyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C(=C)CCCO

DOS

IR

Vibrations